SMILES:
Cc1ccc(Nc2ccc(Cl)nc2)c(C(=O)O)c1Molecular Processing
Molecular formula
C13H11ClN2O2
Molecular weight
262.7
Exact mass
262.0509
XLogP
3.49
TPSA
62.22
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
70.67
Supplementary Information
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